{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6078076 2.110346 -5.5371221 ] [ 0.5513922 0.092801 -5.1373536 ] [ 2.0652373 9.7036727 -1.3758651 ] [ 0.1515483 -0.7256853 0.1596421 ] [ 2.5846694 -1.6431004 6.1703753 ] [ -5.053865 -5.033106 8.3298355 ] [ -1.8276201 -1.095643 -4.4424529 ] [ -0.0791696 -3.409285 1.8329408 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.575991747464558e-09 3.381147022998797e-09 -8.871447575135001e-09 ] [ 8.834276917314778e-10 1.486835925868608e-10 -8.230947830702715e-09 ] [ 3.308874918464116e-09 1.554699753583522e-08 -2.204378896594654e-09 ] [ 2.428071431819846e-10 -1.162676021718234e-09 2.557748403154157e-10 ] [ 4.141096885177164e-09 -2.632537046507129e-09 9.886031047221786e-09 ] [ -8.097184347679392e-09 -8.063924763208205e-09 1.334586769320988e-08 ] [ -2.928170195924158e-09 -1.755413599343174e-09 -7.117594175385161e-09 ] [ -1.268436821980877e-10 -5.462276720644129e-09 2.936694897070448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.114311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.344191517330028e-18 } }